SCHEMBL25856899

SCHEMBL25856899

C=CCCc1ccc(C2=NC(c3ccc4c(c3)CC(=O)N4)=CC2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.39
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.34
▸ GRIA1 P42261 2/20 0.33
▸ CACNG8 Q8WXS5 2/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ PTK2B Q14289 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ CTSC P53634 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25856764 0.84 PGR (0.41) PGRPDE3BPDE3ACYP1A2CYP11B1
SCHEMBL25856880 0.70 PGR (0.40) PGRPDE3BPDE3ACYP1A2CYP11B1
SCHEMBL25856711 0.67 CYP1A2 (0.36) CYP1A2CYP11B1CYP11B2
SCHEMBL23558430 0.64 PGR (0.39) PGRPDE3BPDE3ACYP1A2CYP11B1
SCHEMBL25864140 0.62 XDH (0.45) PGRTBK1
SCHEMBL25867654 0.62 PGR (0.39) PGRPDE3BPDE3ACYP1A2CYP11B1
SCHEMBL23524349 0.62 S1PR1 (0.44) PGRPDE3BPDE3ATBK1PTK2
SCHEMBL25856809 0.62 NISCH (0.34) CYP11B1CYP11B2TBK1BRD4
SCHEMBL25856841 0.62 — —
SCHEMBL25856859 0.61 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 PGR 1551/4885PDE3B 359/4885PDE3A 362/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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